==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 18-MAY-90 5CPP . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.RAAG,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 3 0 0 2 0 2 2 0 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 10 A N 0 0 194 0, 0.0 49,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 93.8 46.7 25.9 32.3 2 11 A L - 0 0 82 47,-0.1 47,-0.2 48,-0.1 46,-0.0 -0.768 360.0-131.2-102.6 140.3 44.9 23.8 29.7 3 12 A A - 0 0 25 45,-2.3 2,-0.1 -2,-0.3 49,-0.0 -0.799 38.0 -90.7 -93.0 148.7 41.1 24.0 29.3 4 13 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.340 47.7-101.6 -63.6 135.6 39.2 20.7 29.2 5 14 A L - 0 0 60 -2,-0.1 43,-0.0 1,-0.1 6,-0.0 -0.328 36.9-125.8 -60.4 120.2 38.7 19.3 25.7 6 15 A P > - 0 0 32 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.533 26.3-106.0 -66.8 158.2 35.2 20.0 24.4 7 16 A P T 3 S+ 0 0 138 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.741 113.2 59.3 -57.8 -36.5 33.2 17.0 23.2 8 17 A H T 3 S+ 0 0 40 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.541 84.8 98.1 -77.3 -2.8 33.5 17.7 19.4 9 18 A V < - 0 0 8 -3,-1.7 2,-0.1 292,-0.1 5,-0.1 -0.793 69.5-136.9 -97.6 120.7 37.3 17.6 19.4 10 19 A P > - 0 0 48 0, 0.0 3,-2.5 0, 0.0 4,-0.1 -0.365 16.1-135.5 -70.9 132.1 39.1 14.4 18.4 11 20 A E G > S+ 0 0 169 1,-0.3 3,-1.4 2,-0.2 35,-0.1 0.753 103.4 64.5 -65.1 -18.4 41.9 13.8 20.7 12 21 A H G 3 S+ 0 0 144 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.532 96.0 60.7 -76.4 -14.9 44.3 13.0 17.9 13 22 A L G < S+ 0 0 15 -3,-2.5 33,-2.4 32,-0.1 -1,-0.3 0.396 80.3 116.4 -89.1 -1.0 43.8 16.7 16.8 14 23 A V B < +a 46 0A 36 -3,-1.4 2,-0.3 31,-0.2 33,-0.2 -0.526 26.0 154.2 -73.3 127.8 45.2 17.9 20.1 15 24 A F - 0 0 57 31,-2.7 2,-1.5 -2,-0.3 30,-0.1 -0.814 34.4-144.4-154.8 102.5 48.4 20.0 19.9 16 25 A D + 0 0 60 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.601 29.7 168.1 -86.5 83.5 48.8 22.4 22.9 17 26 A F - 0 0 9 -2,-1.5 2,-0.7 32,-0.1 32,-0.3 -0.641 26.5-149.0 -91.5 127.6 50.5 25.4 21.4 18 27 A D > - 0 0 45 -2,-0.3 3,-1.6 1,-0.1 -2,-0.0 -0.917 4.6-164.7-106.5 92.0 50.7 28.6 23.6 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.701 91.5 49.4 -47.9 -26.1 50.6 31.5 21.1 20 29 A Y T 3 S+ 0 0 43 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.537 130.3 14.0 -90.6 -14.0 51.8 33.7 24.0 21 30 A N S < S- 0 0 102 -3,-1.6 -1,-0.2 362,-0.1 -2,-0.2 -0.317 76.7-171.0-166.9 70.0 54.6 31.5 25.1 22 31 A P > - 0 0 2 0, 0.0 3,-1.3 0, 0.0 10,-0.1 -0.291 31.2-117.6 -67.8 145.3 55.6 28.8 22.6 23 32 A S T 3 S+ 0 0 122 1,-0.3 3,-0.4 9,-0.2 10,-0.1 0.782 106.5 52.8 -58.4 -39.2 58.0 26.2 23.8 24 33 A N T > + 0 0 82 8,-0.3 3,-2.0 1,-0.2 8,-0.3 0.023 68.0 130.8 -90.2 24.9 60.9 26.8 21.3 25 34 A L G X + 0 0 32 -3,-1.3 3,-2.9 1,-0.3 357,-0.2 0.866 62.9 62.8 -48.9 -39.8 61.1 30.6 22.1 26 35 A S G 3 S+ 0 0 129 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.728 96.8 59.7 -53.7 -38.3 64.9 30.6 22.6 27 36 A A G < S- 0 0 56 -3,-2.0 -1,-0.3 1,-0.3 4,-0.2 0.457 128.1 -78.1 -64.8 -15.2 65.4 29.5 19.0 28 37 A G <> - 0 0 7 -3,-2.9 4,-2.7 -4,-0.2 -1,-0.3 -0.151 42.0 -96.6 119.1 145.3 63.6 32.6 17.6 29 38 A V H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.789 122.9 50.0 -65.6 -43.0 59.9 33.3 17.4 30 39 A Q H > S+ 0 0 0 2,-0.2 4,-1.6 3,-0.1 3,-0.3 0.920 112.1 50.9 -61.4 -47.0 59.4 32.2 13.8 31 40 A E H >> S+ 0 0 60 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.937 107.7 53.1 -61.9 -40.7 61.3 28.9 14.7 32 41 A A H >< S+ 0 0 1 -4,-2.7 3,-0.5 -8,-0.3 -8,-0.3 0.757 112.7 43.4 -61.0 -42.2 59.0 28.4 17.7 33 42 A W H >< S+ 0 0 0 -4,-1.4 3,-2.5 -3,-0.3 -1,-0.3 0.785 100.2 69.8 -67.3 -43.9 55.8 28.7 15.6 34 43 A A H X< S+ 0 0 21 -4,-1.6 3,-2.0 -3,-0.6 -1,-0.2 0.632 77.4 80.6 -59.3 -15.1 57.3 26.6 12.8 35 44 A V G X< S+ 0 0 29 -4,-0.6 3,-1.5 -3,-0.5 -1,-0.3 0.760 82.4 67.1 -54.7 -36.7 57.0 23.6 15.2 36 45 A L G < S+ 0 0 0 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.547 96.6 54.9 -59.0 -22.5 53.3 23.6 14.1 37 46 A Q G < S+ 0 0 7 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.2 0.176 79.3 118.1-101.9 7.5 54.4 22.6 10.6 38 47 A E S X S- 0 0 108 -3,-1.5 3,-2.8 1,-0.1 -3,-0.0 -0.541 79.6-105.0 -67.8 152.5 56.4 19.5 11.4 39 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.770 118.7 61.4 -46.2 -42.3 55.3 16.1 10.0 40 49 A N T 3 S+ 0 0 114 2,-0.0 -1,-0.3 1,-0.0 -4,-0.1 0.595 91.5 87.8 -64.1 -10.0 53.9 15.0 13.4 41 50 A V S < S- 0 0 7 -3,-2.8 -26,-0.1 -6,-0.1 -28,-0.1 -0.792 75.0-134.5-105.1 120.6 51.4 17.9 13.2 42 51 A P - 0 0 42 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 -0.193 28.3-111.2 -66.4 155.3 48.0 17.6 11.5 43 52 A D S S+ 0 0 50 1,-0.2 14,-2.9 256,-0.1 15,-0.5 0.719 108.6 37.6 -56.8 -33.4 46.9 20.6 9.2 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.969 79.3 178.7-131.6 100.5 44.3 21.6 11.7 45 54 A V E - B 0 55A 0 10,-2.4 10,-2.4 -2,-0.4 2,-0.4 -0.744 23.7-138.2-104.8 159.1 45.0 21.4 15.4 46 55 A W E -aB 14 54A 12 -33,-2.4 -31,-2.7 8,-0.3 2,-0.4 -0.965 17.7-159.3-113.2 130.9 43.2 22.1 18.7 47 56 A T E - B 0 53A 0 6,-3.1 6,-1.7 -2,-0.4 -31,-0.2 -0.897 13.7-155.7-111.3 140.5 45.2 23.8 21.5 48 57 A R > + 0 0 78 -2,-0.4 -45,-2.3 4,-0.2 3,-0.5 0.454 67.7 99.3 -86.2 -7.6 44.0 23.6 25.1 49 58 A C G > S+ 0 0 11 -32,-0.3 3,-2.2 1,-0.2 -2,-0.1 -0.364 79.7 19.7 -77.9 157.2 45.9 26.7 25.9 50 59 A N G 3 S- 0 0 46 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.787 141.6 -48.8 50.4 43.3 44.4 30.2 26.2 51 60 A G G < S- 0 0 61 -3,-0.5 -1,-0.3 -50,-0.3 -2,-0.2 0.242 101.8 -71.2 86.6 -12.1 40.9 28.7 26.6 52 61 A G < + 0 0 9 -3,-2.2 256,-0.3 1,-0.1 2,-0.3 0.564 64.9 159.1 94.6 129.2 41.0 26.3 23.7 53 62 A H E -B 47 0A 1 -6,-1.7 -6,-3.1 254,-0.1 256,-0.2 -0.937 37.6-102.9-170.4 154.7 40.9 27.1 20.0 54 63 A W E -Bc 46 309A 0 254,-2.0 256,-3.0 -2,-0.3 2,-0.4 -0.467 27.2-157.1 -75.3 163.3 41.8 25.6 16.6 55 64 A I E -Bc 45 310A 0 -10,-2.4 -10,-2.4 254,-0.3 2,-0.4 -0.986 10.2-143.1-145.3 122.9 44.9 26.6 14.6 56 65 A A E -B 44 0A 0 254,-1.9 -12,-0.2 -2,-0.4 259,-0.1 -0.738 15.1-169.7 -83.2 128.0 45.4 26.2 10.9 57 66 A T + 0 0 0 -14,-2.9 2,-0.4 -2,-0.4 -13,-0.1 0.538 55.9 66.1-104.1 -8.7 49.0 25.2 10.2 58 67 A R S > S- 0 0 5 -15,-0.5 4,-2.0 1,-0.1 3,-0.4 -0.934 76.5-124.3-126.4 144.8 49.3 25.5 6.4 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.3 256,-0.3 5,-0.3 0.806 109.6 58.3 -52.7 -39.2 49.2 28.4 3.9 60 69 A Q H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.944 111.1 39.4 -62.2 -45.9 46.4 26.6 2.0 61 70 A L H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.801 113.5 55.4 -67.7 -46.0 44.0 26.5 4.9 62 71 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.964 111.6 43.8 -57.8 -49.2 44.9 30.0 6.2 63 72 A R H X S+ 0 0 49 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.866 114.3 50.8 -58.4 -47.4 44.1 31.6 2.9 64 73 A E H >X S+ 0 0 72 -4,-1.8 4,-1.6 -5,-0.3 3,-0.5 0.930 111.2 45.7 -58.3 -53.6 40.9 29.6 2.5 65 74 A A H 3< S+ 0 0 1 -4,-2.4 7,-0.2 1,-0.2 -2,-0.2 0.877 112.0 54.4 -59.9 -34.2 39.6 30.5 5.9 66 75 A Y H 3< S+ 0 0 7 -4,-2.2 279,-0.5 1,-0.2 280,-0.2 0.698 109.5 47.1 -72.4 -33.4 40.6 34.2 5.3 67 76 A E H << S+ 0 0 122 -4,-1.5 2,-1.4 -3,-0.5 -1,-0.2 0.765 99.9 72.4 -69.8 -36.5 38.6 34.2 2.0 68 77 A D >X + 0 0 32 -4,-1.6 4,-2.5 1,-0.2 3,-0.8 -0.659 48.6 156.5 -83.9 52.7 35.5 32.6 3.6 69 78 A Y T 34 + 0 0 79 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.694 66.4 74.0 -61.2 -22.9 34.1 35.4 5.8 70 79 A R T 34 S+ 0 0 169 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.919 116.6 18.4 -51.2 -42.8 30.7 33.7 5.6 71 80 A H T <4 S+ 0 0 45 -3,-0.8 222,-1.8 1,-0.2 2,-0.8 0.768 124.9 56.9 -98.2 -37.6 32.0 31.0 8.0 72 81 A F E < S-D 292 0A 1 -4,-2.5 2,-0.3 -7,-0.2 -1,-0.2 -0.823 77.4-162.8-104.1 97.0 35.0 32.7 9.5 73 82 A S E > -D 291 0A 3 218,-2.7 218,-2.2 -2,-0.8 3,-0.7 -0.551 23.5-149.8 -81.5 137.0 33.9 35.9 11.1 74 83 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.309 76.4 100.7 -76.7 -2.2 36.1 38.8 12.1 75 84 A E T 3 S+ 0 0 126 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.839 95.6 25.3 -58.9 -34.0 33.7 39.7 14.9 76 85 A C S < S+ 0 0 3 -3,-0.7 -1,-0.3 1,-0.1 9,-0.2 -0.778 75.4 156.7-131.0 82.6 36.0 38.0 17.4 77 86 A P + 0 0 2 0, 0.0 212,-2.5 0, 0.0 2,-0.4 0.512 49.6 71.2 -86.5 -14.0 39.5 38.1 16.0 78 87 A F S S- 0 0 14 210,-0.2 6,-0.6 3,-0.1 9,-0.1 -0.872 75.3-114.0-111.0 149.1 41.7 37.8 19.0 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.2 4,-0.2 307,-0.1 -0.940 89.2 60.8-113.2 133.7 42.4 34.9 21.4 80 89 A P S >> S- 0 0 31 0, 0.0 4,-2.1 0, 0.0 3,-1.6 0.485 88.2-125.7 -75.2 162.9 41.7 34.7 24.2 81 90 A R H 3> S+ 0 0 82 -31,-0.3 4,-2.0 1,-0.3 -3,-0.1 0.770 109.1 57.4 -45.3 -46.2 37.9 34.9 23.8 82 91 A E H 3> S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.797 110.5 45.5 -57.3 -37.4 37.6 37.7 26.3 83 92 A A H <> S+ 0 0 10 -3,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.913 112.5 49.5 -67.9 -52.0 40.1 39.7 24.2 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.6 -1,-0.2 0.797 113.1 49.3 -52.1 -39.7 38.3 38.8 20.9 85 94 A E H < S+ 0 0 137 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.894 110.4 46.2 -71.5 -40.8 35.0 39.8 22.6 86 95 A A H < S+ 0 0 19 -4,-1.7 2,-0.5 -5,-0.1 -2,-0.2 0.635 89.9 110.4 -75.4 -21.5 36.2 43.2 23.9 87 96 A Y < + 0 0 14 -4,-1.4 -9,-0.0 1,-0.2 98,-0.0 -0.456 30.9 152.4 -61.6 113.7 37.7 43.7 20.4 88 97 A D + 0 0 35 -2,-0.5 -1,-0.2 -12,-0.1 143,-0.1 0.291 17.9 144.1-131.9 15.2 35.6 46.5 18.6 89 98 A F > - 0 0 3 3,-0.1 4,-2.4 145,-0.1 143,-0.2 -0.022 47.7 -97.3 -56.9 148.8 38.1 48.0 16.1 90 99 A I T 4 S- 0 0 1 141,-1.7 145,-0.3 1,-0.3 -1,-0.1 -0.983 95.9 -0.2-121.9 135.2 37.0 49.2 12.7 91 100 A P T >4 S+ 0 0 6 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 -0.973 123.8 67.8 -92.3 12.9 37.1 47.9 10.1 92 101 A T T 34 S+ 0 0 34 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.801 97.3 50.5 -65.4 -29.1 38.8 44.8 11.6 93 102 A S T 3< S+ 0 0 17 -4,-2.4 2,-0.3 -18,-0.1 -1,-0.3 0.363 100.5 85.5-100.9 20.3 35.9 43.4 13.7 94 103 A M < - 0 0 16 -3,-1.1 -6,-0.0 -5,-0.1 -5,-0.0 -0.867 64.0-146.1-119.2 144.7 33.5 43.7 10.7 95 104 A D > - 0 0 36 -2,-0.3 4,-1.4 1,-0.1 3,-0.5 -0.657 44.3 -56.5-100.4 155.2 32.7 41.3 7.8 96 105 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.346 113.7 33.3 -57.7 146.6 31.8 42.4 4.3 97 106 A P T >4 S+ 0 0 118 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.988 124.5 44.0 -89.8 -15.0 29.7 44.1 3.1 98 107 A E T >> S+ 0 0 125 -3,-0.5 4,-0.8 1,-0.3 3,-0.8 0.788 106.8 62.7 -51.0 -41.2 29.6 46.5 6.2 99 108 A Q H 3X S+ 0 0 6 -4,-1.4 4,-2.4 1,-0.2 -1,-0.3 0.730 87.9 74.3 -57.2 -33.9 33.5 46.6 6.3 100 109 A R H <> S+ 0 0 169 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.748 92.7 47.0 -57.4 -45.4 33.8 48.2 2.9 101 110 A Q H <> S+ 0 0 58 -3,-0.8 4,-1.4 -4,-0.3 -1,-0.2 0.921 116.8 46.7 -68.1 -42.8 32.7 51.8 3.6 102 111 A F H X S+ 0 0 10 -4,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.829 111.2 49.6 -64.4 -45.7 34.9 51.8 6.6 103 112 A R H X S+ 0 0 63 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.875 105.8 58.8 -58.5 -45.5 37.9 50.4 4.8 104 113 A A H X S+ 0 0 52 -4,-1.5 4,-0.9 -5,-0.2 -2,-0.2 0.872 109.9 42.5 -51.8 -39.9 37.4 52.9 2.1 105 114 A L H X S+ 0 0 1 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.831 110.4 54.7 -76.7 -40.6 37.8 55.7 4.7 106 115 A A H >X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 3,-0.5 0.894 106.2 54.7 -58.2 -39.3 40.8 54.1 6.5 107 116 A N H 3X S+ 0 0 74 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.842 97.6 61.9 -64.6 -38.4 42.4 53.9 3.0 108 117 A Q H 3< S+ 0 0 119 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.5 42.5 -52.0 -40.3 42.0 57.8 2.6 109 118 A V H << S+ 0 0 6 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.639 130.2 15.6 -76.2 -40.0 44.2 58.1 5.6 110 119 A V H < S+ 0 0 11 -4,-1.2 243,-0.5 -3,-0.2 242,-0.2 0.294 95.9 114.0-117.6 -14.4 47.0 55.5 5.3 111 120 A G S >X S- 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 3,-0.6 0.050 84.4 -77.3 -56.5 177.2 46.9 54.5 1.6 112 121 A M H 3> S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 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0.893 97.2 80.7 -79.0 -45.4 73.7 57.0 15.9 134 143 A R T 3< S+ 0 0 40 -4,-3.2 3,-0.3 1,-0.3 -2,-0.2 0.707 88.8 49.8 -33.1 -52.7 76.7 56.4 13.5 135 144 A P T 34 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.760 100.1 69.3 -69.8 -14.6 79.5 58.1 15.4 136 145 A Q T <4 S- 0 0 115 -3,-1.9 -2,-0.2 -4,-0.2 3,-0.1 0.847 85.5-145.8 -71.1 -40.2 78.5 56.1 18.6 137 146 A G S < S+ 0 0 8 -4,-0.6 260,-1.9 -3,-0.3 2,-0.3 0.675 74.5 50.1 80.7 13.0 79.6 52.7 17.4 138 147 A Q E +F 396 0B 128 -5,-0.4 2,-0.3 258,-0.3 258,-0.2 -0.879 56.7 161.7-177.3 131.9 76.7 51.2 19.4 139 148 A C E -F 395 0B 12 256,-1.4 256,-2.6 -2,-0.3 2,-0.9 -0.950 45.1-112.4-135.1-172.5 73.0 51.4 20.0 140 149 A N E > -F 394 0B 31 -2,-0.3 4,-3.4 254,-0.3 5,-0.3 -0.905 36.9-163.6-109.4 64.7 69.9 49.6 21.4 141 150 A F H >>S+ 0 0 0 252,-2.1 5,-3.4 -2,-0.9 4,-1.6 0.751 82.5 55.1 -37.2 -42.5 68.3 49.4 17.9 142 151 A T H 4>S+ 0 0 10 3,-0.2 5,-2.2 4,-0.2 -1,-0.2 0.974 122.7 26.9 -55.1 -57.7 64.9 48.6 19.3 143 152 A E H 45S+ 0 0 115 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.799 126.1 47.1 -74.1 -37.6 64.8 51.7 21.5 144 153 A D H <5S- 0 0 57 -4,-3.4 -3,-0.2 3,-0.1 -1,-0.2 0.482 135.4 -8.1 -78.2 -22.3 67.2 53.9 19.4 145 154 A Y T X5S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.3 -3,-0.2 0.454 121.3 60.7-139.9 -61.7 65.6 53.3 15.9 146 155 A A T 4 S+ 0 0 23 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.885 109.9 59.8 -54.6 -54.7 61.2 56.3 17.1 149 158 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -3,-0.1 0.946 116.8 26.5 -43.5 -68.6 61.5 56.0 13.3 150 159 A P H > S+ 0 0 2 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.799 123.2 51.5 -67.8 -34.8 58.0 54.5 12.6 151 160 A I H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.889 107.9 51.0 -74.4 -40.3 56.3 56.0 15.6 152 161 A R H X S+ 0 0 86 -4,-2.9 4,-1.9 -5,-0.3 5,-0.2 0.932 111.0 51.1 -67.3 -32.9 57.4 59.6 15.0 153 162 A I H X S+ 0 0 4 -4,-1.8 4,-1.1 -5,-0.4 -1,-0.3 0.811 113.2 43.6 -68.2 -37.5 56.2 59.2 11.4 154 163 A F H X S+ 0 0 11 -4,-1.0 4,-2.0 2,-0.2 -1,-0.3 0.831 110.1 55.1 -71.4 -45.0 52.8 58.0 12.6 155 164 A M H X>S+ 0 0 2 -4,-2.8 5,-2.4 2,-0.2 4,-0.8 0.911 110.3 48.7 -55.2 -31.3 52.6 60.7 15.4 156 165 A L H <5S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.801 111.4 48.4 -77.3 -37.4 53.2 63.3 12.6 157 166 A L H <5S+ 0 0 16 -4,-1.1 53,-2.6 1,-0.2 -1,-0.3 0.835 116.8 41.3 -72.8 -39.6 50.5 61.8 10.4 158 167 A A H <5S- 0 0 0 -4,-2.0 53,-0.4 51,-0.2 -2,-0.2 0.434 107.4-125.2 -85.4 -24.7 48.0 61.6 13.2 159 168 A G T <5 + 0 0 33 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.973 59.9 144.7 76.9 49.7 49.0 65.1 14.5 160 169 A L < - 0 0 14 -5,-2.4 2,-0.3 -6,-0.0 -1,-0.2 -0.941 55.3 -93.7-121.9 154.4 49.6 63.8 18.1 161 170 A P > - 0 0 47 0, 0.0 3,-3.2 0, 0.0 4,-0.2 -0.508 19.0-139.9 -73.5 129.8 52.2 64.8 20.6 162 171 A E G > S+ 0 0 97 -2,-0.3 3,-1.3 1,-0.3 -7,-0.0 0.686 102.4 68.7 -54.3 -23.1 55.5 62.9 20.7 163 172 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.600 89.1 62.7 -69.2 -26.4 55.2 63.1 24.4 164 173 A D G <> S+ 0 0 47 -3,-3.2 4,-2.2 1,-0.2 3,-0.5 0.536 78.9 94.9 -79.0 -9.8 52.2 60.8 24.4 165 174 A I H <> S+ 0 0 30 -3,-1.3 4,-3.6 1,-0.2 5,-0.2 0.839 79.2 48.6 -49.9 -58.6 54.4 58.0 22.9 166 175 A P H > S+ 0 0 98 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.787 116.0 43.4 -55.8 -36.4 55.4 56.1 26.1 167 176 A H H > S+ 0 0 98 -3,-0.5 4,-1.6 -4,-0.3 -2,-0.2 0.928 117.8 45.6 -75.7 -48.5 51.8 56.0 27.4 168 177 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -3,-0.2 0.876 111.7 51.1 -58.6 -49.4 50.4 55.1 24.1 169 178 A K H X S+ 0 0 14 -4,-3.6 4,-2.0 1,-0.2 -1,-0.2 0.857 107.7 53.7 -62.3 -37.9 53.1 52.4 23.3 170 179 A Y H X S+ 0 0 99 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.883 110.3 47.1 -64.5 -43.8 52.5 50.7 26.7 171 180 A L H X S+ 0 0 5 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.838 110.0 51.3 -66.6 -43.6 48.8 50.4 26.0 172 181 A T H >X S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 4,-0.8 0.920 109.1 52.5 -60.0 -41.8 49.2 49.1 22.4 173 182 A D H 3X S+ 0 0 40 -4,-2.0 4,-3.0 1,-0.3 3,-0.3 0.732 100.1 60.2 -62.4 -38.9 51.6 46.4 23.7 174 183 A Q H 3< S+ 0 0 10 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.710 106.5 50.8 -61.6 -29.6 49.2 45.2 26.4 175 184 A M H << S+ 0 0 4 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.677 122.2 26.1 -80.6 -32.8 46.9 44.4 23.5 176 185 A T H < S+ 0 0 2 -4,-0.8 210,-1.7 -3,-0.3 211,-0.6 0.714 137.3 23.6-100.7 -36.8 49.3 42.4 21.3 177 186 A R S < S- 0 0 27 -4,-3.0 -2,-0.1 208,-0.2 -1,-0.1 -0.517 86.6-154.0-133.5 60.1 51.7 41.0 23.9 178 187 A P - 0 0 52 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.018 12.7-164.2 -46.5 138.0 49.8 41.0 27.2 179 188 A D - 0 0 105 3,-0.2 4,-0.1 -5,-0.1 -5,-0.1 0.539 42.5-113.8 -97.1 -21.1 51.8 41.2 30.4 180 189 A G S S+ 0 0 74 2,-0.5 3,-0.1 -6,-0.2 -6,-0.0 0.128 98.9 105.2 96.1 -19.3 49.1 40.1 32.8 181 190 A S S S+ 0 0 57 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.906 89.2 14.5 -59.6 -38.6 49.4 43.7 34.0 182 191 A M S S- 0 0 48 -8,-0.1 -2,-0.5 -11,-0.0 -3,-0.2 -0.994 72.6-124.5-143.9 144.9 46.2 44.6 32.2 183 192 A T > - 0 0 83 -2,-0.4 4,-2.1 -3,-0.1 5,-0.1 -0.258 36.5-112.0 -71.8 158.7 43.2 42.9 30.6 184 193 A F H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.825 116.6 53.7 -62.1 -46.5 42.4 43.8 27.0 185 194 A A H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 110.8 47.5 -57.9 -44.3 39.2 45.6 27.9 186 195 A E H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.907 113.8 46.1 -64.1 -46.5 41.1 47.8 30.4 187 196 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.883 112.9 52.3 -62.3 -40.7 43.8 48.5 27.9 188 197 A K H X S+ 0 0 25 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.812 109.6 48.1 -63.3 -44.1 41.2 49.2 25.3 189 198 A E H X S+ 0 0 90 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.808 108.7 52.1 -65.2 -38.1 39.3 51.7 27.5 190 199 A A H X S+ 0 0 31 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.824 110.3 49.6 -67.4 -38.1 42.4 53.6 28.5 191 200 A L H X S+ 0 0 1 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.888 111.2 50.3 -67.9 -39.3 43.3 54.0 24.9 192 201 A Y H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.784 104.2 56.9 -68.5 -31.6 39.7 55.2 24.3 193 202 A D H < S+ 0 0 108 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.796 109.0 48.7 -67.0 -37.3 39.9 57.7 27.1 194 203 A Y H X S+ 0 0 29 -4,-1.3 4,-0.8 1,-0.1 -2,-0.2 0.932 116.2 41.7 -61.8 -60.0 42.9 59.2 25.3 195 204 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.829 98.3 71.4 -65.8 -45.1 41.1 59.3 22.0 196 205 A I H X S+ 0 0 61 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.803 101.1 42.2 -41.1 -58.7 37.6 60.5 22.9 197 206 A P H > S+ 0 0 56 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.869 114.7 53.2 -63.3 -39.2 38.5 64.2 23.8 198 207 A I H X S+ 0 0 22 -4,-0.8 4,-1.8 1,-0.3 -2,-0.2 0.927 108.9 47.9 -60.9 -49.6 40.8 64.4 20.8 199 208 A I H X S+ 0 0 1 -4,-2.9 4,-1.2 2,-0.2 -1,-0.3 0.820 109.9 53.8 -55.7 -43.7 38.1 63.2 18.4 200 209 A E H X S+ 0 0 106 -4,-1.4 4,-1.9 -5,-0.2 3,-0.3 0.911 109.6 47.8 -54.3 -54.6 35.7 65.7 20.0 201 210 A Q H X S+ 0 0 106 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.779 112.2 48.7 -50.8 -41.9 38.1 68.6 19.3 202 211 A R H < S+ 0 0 34 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.688 107.2 54.4 -89.2 -18.9 38.7 67.5 15.7 203 212 A R H < S+ 0 0 87 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.877 117.5 37.9 -77.1 -40.5 35.0 67.2 15.0 204 213 A Q H < S+ 0 0 156 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.953 134.3 23.2 -71.9 -52.1 34.6 70.8 16.2 205 214 A K S < S- 0 0 70 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 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0.666 117.0 37.1 -56.2 -21.9 36.3 62.1 12.6 216 225 A N T 3< S+ 0 0 71 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.183 93.1 125.8-120.4 14.3 34.7 64.0 9.8 217 226 A G < - 0 0 8 -3,-1.9 7,-2.2 6,-0.1 2,-0.4 -0.177 54.8-127.9 -77.9 162.9 34.4 61.2 7.2 218 227 A Q E +H 223 0C 109 5,-0.3 2,-0.3 -117,-0.1 -2,-0.1 -0.941 25.2 178.4-108.7 142.2 31.3 60.0 5.4 219 228 A V E > S-H 222 0C 1 3,-3.0 3,-1.5 -2,-0.4 -117,-0.1 -0.981 72.1 -2.2-149.4 125.9 30.4 56.3 5.3 220 229 A N T 3 S- 0 0 121 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.935 129.7 -60.8 46.5 53.4 27.3 54.9 3.6 221 230 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.054 122.6 83.2 72.3 -22.1 26.4 58.5 2.6 222 231 A R E < S-H 219 0C 97 -3,-1.5 -3,-3.0 -2,-0.4 2,-0.3 -0.490 88.8 -81.9-104.7 172.3 26.0 59.8 6.2 223 232 A P E -H 218 0C 81 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.614 47.0-103.1 -77.3 144.1 28.6 61.1 8.6 224 233 A I - 0 0 1 -7,-2.2 2,-0.2 -2,-0.3 -4,-0.0 -0.215 39.3-118.7 -58.8 141.3 30.8 58.7 10.8 225 234 A T > - 0 0 62 1,-0.1 4,-2.2 -9,-0.0 5,-0.2 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